N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide

C28H26ClN5O2 — CID 171758474

About N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide

N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 171758474) has the molecular formula C28H26ClN5O2 and a molecular weight of 500.00 g/mol. Its IUPAC name is N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
• PubChem CID: 171758474
• Molecular Formula: C28H26ClN5O2
• Molecular Weight: 500.00 g/mol
• Exact Mass: 499.18
• IUPAC Name: N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
• SMILES: CC(=O)c1cc(C2CC2)cn2cc(CNc3ccnc(NC(=O)C4CC4c4cccc(Cl)c4)c3)nc12
• InChI: InChI=1S/C28H26ClN5O2/c1-16(35)23-10-19(17-5-6-17)14-34-15-22(32-27(23)34)13-31-21-7-8-30-26(11-21)33-28(36)25-12-24(25)18-3-2-4-20(29)9-18/h2-4,7-11,14-15,17,24-25H,5-6,12-13H2,1H3,(H2,30,31,33,36)
• InChIKey: KUDGTKGIQLTXRB-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 88.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.00
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?

The IUPAC name of N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide (CID 171758474) is N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide is CC(=O)c1cc(C2CC2)cn2cc(CNc3ccnc(NC(=O)C4CC4c4cccc(Cl)c4)c3)nc12.

What is the InChIKey of N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?

The InChIKey is KUDGTKGIQLTXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O2/c1-16(35)23-10-19(17-5-6-17)14-34-15-22(32-27(23)34)13-31-21-7-8-30-26(11-21)33-28(36)25-12-24(25)18-3-2-4-20(29)9-18/h2-4,7-11,14-15,17,24-25H,5-6,12-13H2,1H3,(H2,30,31,33,36).

What are the key properties of N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?

N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 500.00 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).